Perfluorohexanesulfonamide（FHxSA） - Moligand™, ≥75% , CAS No.41997-13-1

CAS: 41997-13-1 Cat. No.: P1055883 Molecular Weight: 399.13 EC Number: 816-398-1 PubChem CID: 11603678

GRADE & PURITY Moligand™, ≥75%

Synonyms

Perfluoro-1-hexanesulfonamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Perfluorohexane sulfonamide (FHxSA) is the inhibitor for carbonic anhydrase, that inhibits bovine CA and human CA II with IC50 of 0.122 and 1.38 μM. Perfluorohexane sulfonamide is a delayed-action insecticide, that can be used to control red fire ants (Solenopsis invicta). Perfluorohexane sulfonamide could be a environmental pollutant

Specifications

Synonyms

Perfluoro-1-hexanesulfonamide

Specifications & Purity

Moligand™, ≥75%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥75%

Names and Identifiers

• Canonical Smiles: C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
• InChIKey: WDZLGCSJJWEQJO-UHFFFAOYSA-N
• INCHI: 1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
• Isomeric SMILES: C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• PubChem CID: 11603678
• Molecular Weight: 399.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides
        • Level5 Perfluoroalkyl sulfonic acid and derivatives
          • Level6 Perfluoroalkyl sulfonamides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Perfluoroalkyl sulfonic acid and derivatives
• Direct Parent: Perfluoroalkyl sulfonamides
• Alternative Parents: Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl sulfonamide - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonamides. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonamide, where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 122
• Molecular Weight: 399.130 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 398.96 Da
• Monoisotopic Mass: 398.96 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 556.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1